2-(4-methoxyphenyl)pyrylium perchlorate

C12H11ClO6 — CID 139687640

IUPAC2-(4-methoxyphenyl)pyrylium perchlorate
SMILESCOc1ccc(-c2cccc[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H11O2.ClHO4/c1-13-11-7-5-10(6-8-11)12-4-2-3-9-14-12;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyNNVGFUQKWYGUKP-UHFFFAOYSA-M
MW286.67 g/mol
LogP-1.52
Rot. Bonds2

About 2-(4-methoxyphenyl)pyrylium perchlorate

2-(4-methoxyphenyl)pyrylium perchlorate (PubChem CID 139687640) has the molecular formula C12H11ClO6 and a molecular weight of 286.67 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)pyrylium perchlorate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)pyrylium perchlorate
PubChem CID139687640
Molecular FormulaC12H11ClO6
Molecular Weight286.67 g/mol
Exact Mass286.02
IUPAC Name2-(4-methoxyphenyl)pyrylium perchlorate
SMILESCOc1ccc(-c2cccc[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H11O2.ClHO4/c1-13-11-7-5-10(6-8-11)12-4-2-3-9-14-12;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyNNVGFUQKWYGUKP-UHFFFAOYSA-M
XLogP-1.52
TPSA112.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(4-methoxyphenyl)pyrylium perchlorate
CID 2751505
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate
CID 12779622
6-methoxychromenylium
CID 12867628
4-methoxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-1-ium-9-one perchlorate
CID 11794967
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate
CID 134909296
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-phenylbenzene cyanide
CID 159561637

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)pyrylium perchlorate?
The IUPAC name of 2-(4-methoxyphenyl)pyrylium perchlorate (CID 139687640) is 2-(4-methoxyphenyl)pyrylium perchlorate.
What is the SMILES notation for 2-(4-methoxyphenyl)pyrylium perchlorate?
The canonical SMILES for 2-(4-methoxyphenyl)pyrylium perchlorate is COc1ccc(-c2cccc[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(4-methoxyphenyl)pyrylium perchlorate?
The InChIKey is NNVGFUQKWYGUKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O2.ClHO4/c1-13-11-7-5-10(6-8-11)12-4-2-3-9-14-12;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-(4-methoxyphenyl)pyrylium perchlorate?
2-(4-methoxyphenyl)pyrylium perchlorate has a molecular weight of 286.67 g/mol, XLogP of -1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)pyrylium perchlorate is sourced from PubChem (CID 139687640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).